General Information of the Compound
| Compound ID |
CP0529279
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| Compound Name |
4-[[(1S,6R)-6-amino-2-(4-fluorophenyl)cyclohex-2-en-1-yl]methylamino]-5-chloro-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide;hydrochloride
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| Structure |
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| Formula |
C22H22Cl2F2N4O2S2
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| Molecular Weight |
547.48
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| Canonical SMILES |
Cl.N[C@@H]1CCC=C([C@H]1CNc1cc(F)c(cc1Cl)S(=O)(=O)Nc1nccs1)c1ccc(F)cc1
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| InChI |
InChI=1S/C22H21ClF2N4O2S2.ClH/c23-17-10-21(33(30,31)29-22-27-8-9-32-22)18(25)11-20(17)28-12-16-15(2-1-3-19(16)26)13-4-6-14(24)7-5-13;/h2,4-11,16,19,28H,1,3,12,26H2,(H,27,29);1H/t16-,19-;/m1./s1
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| InChIKey |
LGCIKUFVGKSBFD-LJLRIERRSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound